SCHEMBL4448709

SCHEMBL4448709

CCCCc1cccc(OP(=O)(CCC)Oc2cccc(CCCC)c2CCCC)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40
PPARA Q07869 2/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PPARG P37231 1/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4459847 0.94 ALOX5 (0.40) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL4459871 0.90 ALOX5 (0.41) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL4458043 0.88 LTB4R (0.40) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL385367 0.86 ALOX5 (0.43) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL4448711 0.86 ALOX5 (0.41) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL4453737 0.85 LTB4R (0.41) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL4458117 0.85 ALOX5 (0.42) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL385368 0.84 INPPL1 (0.46) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL4459849 0.83 PPARA (0.43) PTGS2ALOX5PPARALTB4RLTB4R2
SCHEMBL4458121 0.82 ALOX5 (0.43) PTGS2ALOX5PPARALTB4RLTB4R2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed